579450-66-1
3-CHLORO-N-[(6-ETHYL-1,2-DIHYDRO-2-OXO-3-QUINOLINYL)METHYL]-6-FLUORO-N-[(2-METHOXYPHENYL)METHYL]-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name
3-CHLORO-N-[(6-ETHYL-1,2-DIHYDRO-2-OXO-3-QUINOLINYL)METHYL]-6-FLUORO-N-[(2-METHOXYPHENYL)METHYL]-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Formula
C29 H24 Cl F N2 O3 S
MolWeight
535.037
1Identification
【Name】
3-CHLORO-N-[(6-ETHYL-1,2-DIHYDRO-2-OXO-3-QUINOLINYL)METHYL]-6-FLUORO-N-[(2-METHOXYPHENYL)METHYL]-BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03740209
【English Synonyms】
【Formula】
C29 H24 Cl F N2 O3 S
【MolWeight】
535.037
【Inchi】
InChI=1S/C29H24ClFN2O3S/c1-3-17-8-11-23-19(12-17)13-20(28(34)32-23)16-33(15-18-6-4-5-7-24(18)36-2)29(35)27-26(30)22-10-9-21(31)14-25(22)37-27/h4-14H,3,15-16H2,1-2H3,(H,32,34)
【InChIKey】
InChIKey=YCCVMQAXVBXGEY-UHFFFAOYSA-N
【SMILES】
CCc1ccc2c(c1)cc(c(=O)[nH]2)CN(Cc3ccccc3OC)C(=O)c4c(c5ccc(cc5s4)F)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F